Receptor
PDB id Resolution Class Description Source Keywords
4EPL 2.01 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GH3.11 (JAR1) IN C WITH JA-ILE ARABIDOPSIS THALIANA ANL ADENYLATING ENZYME ACYL ACID-AMIDO SYNTHETASE ADENYLATLIGASE
Ref.: STRUCTURAL BASIS FOR PRERECEPTOR MODULATION OF PLAN HORMONES BY GH3 PROTEINS. SCIENCE V. 336 1708 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JAI A:601;
Valid;
none;
submit data
323.427 C18 H29 N O4 CC/C=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EPL 2.01 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GH3.11 (JAR1) IN C WITH JA-ILE ARABIDOPSIS THALIANA ANL ADENYLATING ENZYME ACYL ACID-AMIDO SYNTHETASE ADENYLATLIGASE
Ref.: STRUCTURAL BASIS FOR PRERECEPTOR MODULATION OF PLAN HORMONES BY GH3 PROTEINS. SCIENCE V. 336 1708 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
3 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 4EQL - SAL C7 H6 O3 c1ccc(c(c1....
5 4EPM - AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 4EQ4 - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: JAI; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JAI 1 1
2 JAA 0.59375 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EPL; Ligand: JAI; Similar sites found: 467
This union binding pocket(no: 1) in the query (biounit: 4epl.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.00003694 0.58777 None
2 3FSJ D7K 0.03396 0.40289 0.757576
3 4L7I SAM 0.0005288 0.41418 0.982801
4 1ECC PCP 0.003745 0.40296 0.992063
5 4KXV TDP DX5 0.007023 0.41081 1.0327
6 1Q3Q ANP 0.02127 0.40541 1.09489
7 4KCT PYR 0.00183 0.42175 1.2024
8 4KCT FDP 0.002873 0.40424 1.2024
9 2PT9 2MH 0.001063 0.43799 1.24611
10 2PT9 S4M 0.0009373 0.42837 1.24611
11 2YPO PHE 0.002852 0.41639 1.2987
12 3F3E LEU 0.0004811 0.45505 1.34875
13 2DKH 3HB 0.0005982 0.45375 1.37694
14 2DKH FAD 0.0008482 0.44044 1.37694
15 1YBH FAD 0.002881 0.42701 1.37694
16 1YBH P22 0.0007821 0.40068 1.37694
17 4M51 BEZ 0.0002126 0.49918 1.40515
18 4DYO SD4 0.003184 0.41225 1.4433
19 2XVE FAD 0.005021 0.43414 1.50862
20 2V7B BEZ 0.0076 0.42337 1.51229
21 1CKM GTP 0.001637 0.42366 1.51515
22 1LVL FAD 0.002588 0.43289 1.52838
23 1D6H COA 0.01694 0.40039 1.55039
24 3ZRR PXG 0.0005689 0.42688 1.5625
25 3GJB AKG 0.003316 0.41156 1.5674
26 2C31 ADP 0.01474 0.41944 1.58451
27 1RKD RIB 0.002078 0.42427 1.61812
28 1RKD ADP 0.002078 0.42427 1.61812
29 1GEX PLP HSA 0.001786 0.41804 1.68539
30 1PL6 572 0.004283 0.41354 1.68539
31 1H16 PYR 0.002415 0.44927 1.72117
32 1H16 DTL 0.007417 0.43358 1.72117
33 1V5F TPP 0.0251 0.43175 1.72117
34 1V5F FAD 0.0251 0.43175 1.72117
35 1R37 NAD 0.0005734 0.44828 1.72911
36 5RHN 8BR 0.002004 0.401 1.73913
37 2BO4 FLC 0.001784 0.44767 1.76322
38 4HA6 FAD 0.001552 0.44172 1.77165
39 3ITJ CIT 0.0111 0.41895 1.77515
40 4C6F NCD 0.00185 0.41628 1.78117
41 4C6F DOR 0.00185 0.41628 1.78117
42 4N4J HG1 0.01389 0.40065 1.8
43 3A2Q ACA ACA 0.000665 0.42007 1.82556
44 3EE4 MYR 0.000382 0.40139 1.85759
45 1E7S NAP 0.0019 0.42575 1.86916
46 3RFV NAI 0.002196 0.4178 1.87266
47 1LTH NAD 0.01986 0.40387 1.88088
48 2HGS ADP 0.003165 0.40391 1.89873
49 4R33 TRP 0.004958 0.4111 1.90476
50 4R33 SAH 0.004958 0.4111 1.90476
51 3L24 GOA 0.007845 0.43237 1.93424
52 2C5S AMP 0.001839 0.42167 1.93705
53 1KTC NGA 0.005438 0.40809 1.97531
54 2R42 FPS 0.001202 0.41528 2.02532
55 3NNF AKG 0.00128 0.44683 2.03488
56 1Z41 FMN 0.0007877 0.41515 2.07101
57 1R6D NAD 0.001914 0.44617 2.07715
58 1R6D DAU 0.009298 0.41737 2.07715
59 2YYJ FAD 0.01281 0.42632 2.079
60 2YYJ 4HP 0.01281 0.42632 2.079
61 3DGB MUC 0.001762 0.41211 2.09424
62 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01475 0.40008 2.11538
63 1KBJ FMN 0.0005867 0.43588 2.18447
64 4HZO COA 0.003386 0.4165 2.20126
65 1GSA ADP 0.01138 0.41068 2.21519
66 1GSA GSH 0.002646 0.40105 2.21519
67 4JLV ADP 0.04602 0.40403 2.23048
68 2V6O FAD 0.009225 0.42922 2.23752
69 2IXB NAD 0.000794 0.43877 2.25225
70 2IXB A2G 0.001351 0.43877 2.25225
71 3MAG 3MA 0.005158 0.45 2.28013
72 1M5B BN1 0.003814 0.43623 2.28137
73 3P3N AKG 0.006735 0.41523 2.29226
74 3FXU TSU 0.004114 0.40309 2.29508
75 3TKA CTN 0.000685 0.51406 2.30548
76 3TKA SAM 0.0003271 0.40412 2.30548
77 1UF5 CDT 0.003787 0.40439 2.31023
78 4F2Q QUS 0.0007108 0.4105 2.32558
79 3IOI 1GW 0.003041 0.41797 2.34899
80 1XHL NDP 0.003198 0.41714 2.3569
81 3MCT SAH 0.002428 0.40627 2.3569
82 1A59 CIT 0.0136 0.40747 2.38095
83 4NE2 SH2 0.00155 0.43294 2.39521
84 4NE2 ADP 0.00725 0.40594 2.39521
85 4WBD CIT 0.0007384 0.47362 2.40296
86 4WBD ADP 0.004152 0.43098 2.40296
87 2OWZ CIT 0.004162 0.4244 2.40964
88 2Q8M AMP 0.003209 0.40246 2.40964
89 3WE0 FAD 0.006246 0.41767 2.41379
90 2A0W DIH 0.005288 0.41063 2.42215
91 3SIX GDP 0.0005263 0.43153 2.42424
92 3CQ5 PMP 0.0007595 0.43682 2.43902
93 1HDR NAD 0.004252 0.42877 2.45902
94 3K37 BCZ 0.04596 0.40033 2.51889
95 1JA9 NDP 0.002536 0.45053 2.55474
96 1JA9 PYQ 0.006805 0.40081 2.55474
97 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.02183 0.40035 2.5641
98 3AHC TPP 0.002898 0.41612 2.58176
99 1WRA PC 0.0009886 0.45932 2.5974
100 4K5S PM0 0.01455 0.40714 2.61194
101 4K5S FAD 0.007898 0.40335 2.61194
102 4AAW R84 0.003064 0.43365 2.61438
103 3ZPG 5GP 0.0009914 0.47674 2.6178
104 3RO7 TDR 0.004128 0.40756 2.64151
105 3OND ADN 0.0009939 0.45332 2.66393
106 3OND NAD 0.0009939 0.45332 2.66393
107 1X1T NAD 0.00366 0.44507 2.69231
108 2YBQ UP2 0.002579 0.42557 2.73973
109 1Z45 NAD 0.00296 0.41578 2.75387
110 4NAO AKG 0.006914 0.42089 2.76074
111 1TOI HCI 0.004875 0.40625 2.77778
112 4CCO OGA 0.001767 0.42803 2.78373
113 3TXO 07U 0.001522 0.4005 2.83286
114 1IUP ALQ 0.003933 0.41112 2.83688
115 1EDO NAP 0.01643 0.4163 2.86885
116 2GJP MAL 0.02209 0.41387 2.8866
117 2YIV NBN 0.00009943 0.50465 2.92599
118 2YIV YIV 0.0007631 0.47294 2.92599
119 1T10 F6P 0.005976 0.41175 2.92599
120 1A8S PPI 0.003355 0.40404 2.9304
121 2YVF NAD 0.02025 0.40888 2.94118
122 2YVF FAD 0.01956 0.40888 2.94118
123 1JN2 SFP 0.04834 0.41513 2.95359
124 1UOU CMU 0.002298 0.40325 2.95359
125 1RM4 NDP 0.001953 0.44971 2.96736
126 2P8B NSK 0.01943 0.42727 2.98103
127 2VQ5 LDP 0.001519 0.4676 2.98507
128 2VQ5 HBA 0.005505 0.4254 2.98507
129 2Y6P CTP 0.001559 0.41912 2.99145
130 2BLE 5GP 0.01876 0.409 2.99728
131 1VDC FAD 0.00402 0.4289 3.003
132 1QF5 RPL 0.001982 0.44126 3.01624
133 1QF5 GDP 0.001982 0.44126 3.01624
134 2HW1 ANP 0.001032 0.41963 3.02013
135 4O8A 2OP 0.01747 0.41512 3.09811
136 1T26 NAI 0.006465 0.44408 3.10559
137 1T26 GBD 0.006465 0.44408 3.10559
138 3DCM SAM 0.003205 0.40005 3.125
139 2XDQ MGX 0.0003586 0.49853 3.13112
140 1FIQ SAL 0.0028 0.41934 3.14286
141 1FIQ FAD 0.0097 0.40107 3.14286
142 3NKS FAD 0.0002731 0.46461 3.14465
143 4IAE 1DX 0.01604 0.40581 3.1746
144 1QDS PGA 0.002844 0.40914 3.18725
145 4OYA 1VE 0.02907 0.41709 3.19149
146 2QA1 FAD 0.001926 0.42929 3.2
147 1GPJ CIT 0.003577 0.42729 3.21782
148 1DLJ NAI 0.004342 0.42924 3.23383
149 1DLJ UGA 0.005667 0.42455 3.23383
150 1S20 TLA 0.01921 0.40091 3.23529
151 1GJW GLC 0.006822 0.42116 3.27022
152 2VJJ RAM GLC GAL NAG NAG GLC 0.007557 0.41908 3.27022
153 2C7G ODP 0.00304 0.43875 3.28947
154 2C7G FAD 0.005447 0.42913 3.28947
155 1YRX FMN 0.001212 0.41323 3.30579
156 4Q0A 4OA 0.0001401 0.4267 3.31126
157 3GTD MLI 0.009563 0.4031 3.3195
158 1R27 MGD 0.002815 0.4241 3.32031
159 1G6O ADP 0.005297 0.4006 3.33333
160 1H2B NAJ 0.00506 0.41077 3.34262
161 3CEV ARG 0.006059 0.40121 3.34448
162 4DQ2 BTX 0.0003955 0.44718 3.35366
163 3PNL ADP 0.0003314 0.43941 3.36134
164 2GDZ NAD 0.002707 0.41724 3.37079
165 1YS4 NAP 0.001624 0.41441 3.38983
166 3GWT 066 0.002646 0.41897 3.39943
167 1L2T ATP 0.001125 0.42202 3.40426
168 2JFV FLC 0.006783 0.4151 3.43643
169 1E2S CSN 0.0004543 0.41894 3.47648
170 2NVK NAP 0.006489 0.40495 3.48361
171 3I8P 840 0.0009998 0.41154 3.51288
172 1VJT NAD 0.0002705 0.4384 3.51967
173 1R18 SAH 0.003552 0.40209 3.52423
174 3ICC NAP 0.001871 0.426 3.52941
175 4HZD COA 0.004132 0.4165 3.5461
176 2IMP NAI 0.01268 0.42549 3.54906
177 2IMP LAC 0.002458 0.40417 3.54906
178 3U4C NDP 0.005959 0.40298 3.55872
179 1V1A ADP 0.00318 0.41322 3.55987
180 3BAZ NAP 0.001412 0.42181 3.6036
181 3WO0 ALA 0.00336 0.42112 3.61702
182 3WO0 ADP 0.00336 0.42112 3.61702
183 2H8Z 8CM 0.00264 0.41626 3.62117
184 2H8Z FMN 0.00264 0.41626 3.62117
185 3TO7 COA 0.01174 0.40206 3.62319
186 1VQ2 DDN 0.01814 0.41089 3.62694
187 4BHL ARG 0.007639 0.42075 3.65169
188 4BG4 ARG 0.01232 0.413 3.65169
189 3MD0 GDP 0.004776 0.4053 3.66197
190 4RJK PYR 0.02217 0.40355 3.67776
191 1MXI SAH 0.0006003 0.40582 3.75
192 4TMK T5A 0.005172 0.40918 3.75587
193 1YOA FMN 0.01357 0.43693 3.77358
194 1F8F NAD 0.01789 0.40716 3.77358
195 2PUL ACP 0.0009176 0.41284 3.77834
196 2IZ1 ATR 0.008843 0.41004 3.79747
197 4C2G ALA ALA ALA ALA 0.001348 0.42699 3.81166
198 3DG6 MUC 0.00098 0.41655 3.81471
199 1H0C AOA 0.005695 0.42473 3.82653
200 2VAR AMP 0.0006584 0.43342 3.83387
201 2VAR KDF 0.000839 0.42404 3.83387
202 1RZM E4P 0.00293 0.43786 3.84615
203 1P9B IMO 0.000907 0.42719 3.84615
204 3BHO B4P 0.01546 0.42529 3.84615
205 1I7L ATP 0.001313 0.41956 3.8835
206 1I0Z OXM 0.02488 0.40747 3.9039
207 9LDB NAD 0.000989 0.43516 3.91566
208 9LDT OXM 0.02942 0.41072 3.91566
209 4LIT AKG 0.006511 0.41017 3.9312
210 4IOK XPO 0.001925 0.4135 3.9356
211 4IOK ADP 0.006028 0.4 3.9356
212 1LDM NAD 0.02465 0.40651 3.95137
213 3W54 RNB 0.001309 0.40287 3.95137
214 2P1M IHP 0.002571 0.4122 3.95869
215 2P1O IHP 0.004174 0.41014 3.95869
216 2P1O NLA 0.004174 0.41014 3.95869
217 3CF6 SP1 0.001644 0.404 3.95869
218 1SOW NAD 0.002237 0.42305 3.96341
219 1VE3 SAM 0.0006998 0.40445 3.96476
220 2XCG XCG 0.00275 0.41698 4.03846
221 3P7I P7I 0.000905 0.43988 4.04984
222 3UEC ALA ARG TPO LYS 0.007781 0.41855 4.10959
223 3PXP MYR 0.001064 0.4036 4.10959
224 4GYW UDP 0.0001213 0.47122 4.13081
225 1WDA BAG 0.002491 0.41646 4.13081
226 3OIG NAD 0.009919 0.4205 4.13534
227 1KHT AMP 0.0003766 0.40759 4.16667
228 4KCF AKM 0.001322 0.41946 4.18502
229 4JCA CIT 0.0005322 0.50094 4.19162
230 4PLG NAI 0.001959 0.43135 4.19162
231 4PLG OXM 0.001959 0.43135 4.19162
232 3QDY A2G GAL 0.001266 0.46254 4.1958
233 3QDT A2G GAL 0.003091 0.4442 4.1958
234 3QDY CBS 0.003317 0.43542 4.1958
235 3BY8 MLT 0.00544 0.42563 4.22535
236 2OFE NAG 0.01105 0.40578 4.22535
237 1GAD NAD 0.002043 0.41746 4.24242
238 1WVC CTP 0.04509 0.40352 4.2471
239 2ZSC BTN 0.001404 0.41095 4.25532
240 3WBF API 0.002378 0.42332 4.2623
241 3WBF NAP 0.005367 0.40468 4.2623
242 2ZJ3 G6P 0.002432 0.40434 4.26667
243 1KOL NAD 0.002574 0.4256 4.27136
244 2ZJ5 ADP 0.005908 0.41196 4.30293
245 1TB4 PEJ 0.005523 0.40555 4.31267
246 3V1U NAD 0.004811 0.40215 4.329
247 2CSN CKI 0.002036 0.41594 4.3771
248 3FS8 ACO 0.03769 0.40694 4.3956
249 3DAG FEG 0.003075 0.40933 4.46927
250 1POC GEL 0.0003092 0.43177 4.47761
251 2BNF UTP 0.008568 0.40743 4.56432
252 1FBL HTA 0.002897 0.40884 4.59459
253 1TIW TFB 0.004575 0.41809 4.65116
254 1TIW FAD 0.004575 0.41809 4.65116
255 2WGC SIA GAL BGC 0.03436 0.41482 4.67836
256 1C0I BE2 0.001319 0.44649 4.6832
257 1C0I FAD 0.001319 0.44649 4.6832
258 1K4M CIT 0.0232 0.40927 4.69484
259 1WVG APR 0.004044 0.40493 4.73538
260 4G1V FAD 0.00171 0.42186 4.7619
261 2NCD ADP 0.005427 0.41352 4.7619
262 3PJU C2E 0.003028 0.41111 4.81928
263 2EWM NAD 0.006495 0.40417 4.81928
264 3M0J OAF 0.006535 0.40407 4.88599
265 4W6Z ETF 0.001099 0.47454 4.89914
266 1UW1 ADP 0.001641 0.43548 5
267 2HFK E4H 0.0007571 0.44304 5.01567
268 2VMG MBG 0.01787 0.40465 5.09554
269 1J5P NAD 0.003424 0.41059 5.13834
270 1ZK7 FAD 0.000991 0.45145 5.13919
271 1QH9 LAC 0.01143 0.42073 5.17241
272 1OFH ADP 0.01909 0.40803 5.17241
273 2GSD NAD 0.0007895 0.44423 5.22388
274 2X2T GAL NGA 0.0279 0.40121 5.22876
275 2EB5 OXL 0.005223 0.42008 5.24345
276 2NX1 RP5 0.002328 0.41686 5.24345
277 2NX1 PEP 0.003026 0.4126 5.24345
278 3ZUY TCH 0.001236 0.42297 5.26316
279 1F1V DHY 0.005664 0.40237 5.26316
280 1TUV VK3 0.03376 0.40084 5.26316
281 2HHP FLC 0.003278 0.49613 5.28302
282 1WL4 COA 0.01136 0.40731 5.28967
283 2XBP ATP 0.01415 0.40563 5.30973
284 4B9E FAH 0.0003144 0.48193 5.31561
285 1ULE GLA GAL NAG 0.01807 0.4078 5.33333
286 1RY2 AMP 0.001158 0.42499 5.33563
287 3LTW HLZ 0.001833 0.44 5.35714
288 4M5P MLA 0.002957 0.46249 5.40541
289 4M5P 23W 0.003851 0.43968 5.40541
290 1V35 NAI 0.004477 0.42151 5.47112
291 4EXO PYR 0.002766 0.44648 5.47945
292 1OLS TDP 0.006861 0.41695 5.5
293 1UXG NAD 0.008035 0.40852 5.50162
294 1UXG FUM 0.008035 0.40852 5.50162
295 3TCT 3MI 0.02097 0.4029 5.51181
296 1NZY BCA 0.0002464 0.45324 5.57621
297 1SC3 MLI 0.0002788 0.49362 5.61798
298 4COQ SAN 0.004021 0.42506 5.66802
299 1QO0 BMD 0.0004348 0.46735 5.71429
300 1PEA ACM 0.001523 0.45875 5.71429
301 3Q9T FAY 0.007182 0.41043 5.71924
302 1I1Q TRP 0.0004981 0.40064 5.72917
303 1XX4 BAM 0.008652 0.43027 5.74713
304 1P9P SAH 0.002312 0.40885 5.74713
305 1OAA OAA 0.00169 0.44025 5.79151
306 4U9W SER GLY ARG GLY LYS NH2 0.007379 0.41063 5.7971
307 3EF0 ALF 0.002715 0.45292 5.91398
308 1V7R CIT 0.01432 0.42702 5.91398
309 2FOI JPA 0.004735 0.40067 5.94796
310 1MZV AMP 0.0007375 0.43154 5.95745
311 3BW2 FMN 0.000843 0.43634 5.96206
312 2VDJ HSE 0.02218 0.40354 5.98007
313 1Y1A GSH 0.003261 0.47796 6.01093
314 3LZW FAD 0.002525 0.42817 6.0241
315 3LZW NAP 0.00623 0.42817 6.0241
316 1ZZ7 S0H 0.005396 0.40823 6.06061
317 3A1I UNU 0.002753 0.40968 6.14203
318 2DWU DGL 0.006486 0.40004 6.15942
319 2BOI MFU 0.001433 0.43174 6.19469
320 2XK9 XK9 0.005745 0.40983 6.21118
321 2F2U M77 0.001706 0.41762 6.21891
322 1MVN PCO 0.01461 0.41183 6.2201
323 1MVN FMN 0.01097 0.40323 6.2201
324 4JP3 CIT 0.001902 0.41087 6.27615
325 2HVK TBA 0.009634 0.4084 6.45161
326 2H6T IVA VAL VAL STA ALA STA 0.002051 0.40287 6.47059
327 2QLX RM4 0.00765 0.41889 6.48148
328 2ALG DAO 0.002441 0.40618 6.52174
329 2ALG HP6 0.002441 0.40618 6.52174
330 2HGZ PBF 0.0006552 0.43237 6.53595
331 1V6A TRE 0.009957 0.40236 6.62651
332 2J0W ADP 0.002172 0.40199 6.68151
333 1I2B USQ 0.01268 0.41332 6.68317
334 1I2B NAD 0.01268 0.41332 6.68317
335 1I2B UPG 0.01268 0.41332 6.68317
336 3CKJ CIT 0.004622 0.40429 6.68693
337 3GE7 AFQ 0.002895 0.42005 6.73575
338 3FPZ AHZ 0.01546 0.42178 6.74847
339 4B16 NAG 0.00001909 0.57551 6.76692
340 2FR6 URI 0.0008677 0.40133 6.84932
341 3RKR NAP 0.0002155 0.42338 6.87023
342 2ZWS PLM 0.00113 0.49556 6.88468
343 3BL6 FMC 0.0001675 0.44353 6.95652
344 3PLN U5P 0.006894 0.40388 7.07547
345 2GWD GLU 0.001173 0.42937 7.12695
346 4OJ8 2TQ 0.002585 0.4071 7.16724
347 1Y7P RIP 0.00262 0.4476 7.17489
348 2Q37 3AL 0.00149 0.43724 7.18232
349 2VBQ BSJ 0.005561 0.41037 7.27273
350 3ZS7 ATP 0.002247 0.4093 7.33333
351 2NLI LAC 0.01581 0.41209 7.33696
352 2NLI FMN 0.01729 0.40915 7.33696
353 2V7T SAH 0.02084 0.42003 7.35786
354 4E28 9MZ 0.003585 0.42724 7.38462
355 4E28 0MZ 0.005273 0.41405 7.38462
356 2WCI GSH 0.001701 0.43482 7.40741
357 2CKM AA7 0.0154 0.40027 7.55064
358 4BMO FMN 0.002031 0.41598 7.56302
359 2B4Q NAP 0.003143 0.41479 7.6087
360 4O1M NAD 0.006206 0.40364 7.61905
361 3S9K CIT 0.01021 0.42726 7.62712
362 1Y75 NAG 0.005506 0.40286 7.62712
363 3F81 STT 0.001814 0.46379 7.65027
364 2WQ4 SFU 0.001168 0.47918 7.69231
365 3W8S GSH 0.001197 0.44125 7.76699
366 3PMD 11A 0.002813 0.40932 7.84314
367 1RYI GOA 0.009684 0.44976 7.8534
368 2Q8H TF4 0.003401 0.45032 7.86241
369 2R40 20E 0.001464 0.41956 7.89474
370 1O9U ADZ 0.002453 0.45732 8
371 1LYX PGA 0.00231 0.40317 8.06452
372 4CMF PXG 0.01844 0.40372 8.07453
373 1IYE PGU 0.003582 0.41398 8.09062
374 4K30 NLG 0.003094 0.40774 8.125
375 4KQI NIO 0.0005123 0.44598 8.14607
376 4KQI RBZ 0.0005123 0.44598 8.14607
377 2Q09 DI6 0.002085 0.41952 8.17308
378 1NU4 MLA 0.01696 0.43164 8.24742
379 2P8O BVA 0.001159 0.40268 8.24742
380 2AMV BIN 0.007284 0.42013 8.26162
381 4F8L GAL 0.003194 0.47109 8.27586
382 2UZ2 BTN 0.001681 0.40366 8.46154
383 1SS4 GSH 0.001695 0.48693 8.49673
384 4N7C AEF 0.003507 0.43431 8.52273
385 4NTD FAD 0.002333 0.42951 8.52941
386 1TDF FAD 0.001236 0.44858 8.5443
387 1TDF NAP 0.003356 0.44666 8.5443
388 4TSK NDP 0.01865 0.40778 8.57143
389 3L6R MLI 0.01632 0.40998 8.67052
390 1UAY ADN 0.0001201 0.43823 8.67769
391 3R51 MMA 0.0002248 0.50853 8.75
392 1CBF SAH 0.00008326 0.44917 8.77193
393 1JUV NDP 0.00231 0.41548 8.80829
394 1T8U UAP SGN IDS SGN 0.00229 0.42983 8.82353
395 1T8U A3P 0.001154 0.41591 8.82353
396 1EP2 ORO 0.0005739 0.44826 9.00322
397 1N9L FMN 0.0008073 0.40189 9.17431
398 2BZ1 TAU 0.0006409 0.5089 9.18367
399 3OZG SSI 0.0004533 0.42352 9.2
400 2PTZ PAH 0.0007158 0.4166 9.25926
401 2F01 BTQ 0.01557 0.41552 9.44882
402 2F01 BTN 0.02339 0.40807 9.44882
403 1H8G CHT 0.0153 0.43408 9.47368
404 1C1L GAL BGC 0.0149 0.40567 9.48905
405 4INB 1F6 0.002151 0.40624 9.58904
406 3K9W ADE 0.02014 0.42289 9.62567
407 3K9W 4PS 0.02014 0.42289 9.62567
408 1OGD RIP 0.004093 0.41313 9.92366
409 3O03 NAP 0.005533 0.40138 9.96564
410 2Y7P SAL 0.003768 0.4146 10.0917
411 1BDB NAD 0.01124 0.42443 10.1083
412 4G4S LDZ 0.0005053 0.41522 10.2128
413 2JBH 5GP 0.006481 0.40006 10.2222
414 1JIL 485 0.001086 0.41685 10.2381
415 1DUC DUD 0.00305 0.40177 10.4478
416 3ZOD HQE 0.00003646 0.40026 10.4712
417 3ZOD FMN 0.00003646 0.40026 10.4712
418 3ZF8 GDP 0.004643 0.401 10.4918
419 4JEJ 1GP 0.0001655 0.45013 10.6557
420 1PR9 NAP 0.001647 0.42942 10.6557
421 3D3W NAP 0.006113 0.40517 10.6557
422 1EXB NDP 0.01443 0.41983 10.6796
423 1KYV RBF 0.001726 0.4055 10.6918
424 1MQ0 BRD 0.001258 0.41266 10.7143
425 4USQ FAD 0.004955 0.4123 10.8033
426 3NCQ ATP 0.0009727 0.42056 10.9244
427 1YGC 905 0.002684 0.4028 11.1111
428 3GM5 CIT 0.001312 0.44637 11.3208
429 4A3R CIT 0.003808 0.41787 11.3953
430 3I0O SMI 0.01013 0.40205 11.5044
431 1T0S BML 0.0006747 0.47547 11.6279
432 1EYQ NAR 0.004262 0.40725 11.7117
433 1VR0 3SL 0.0003859 0.40354 11.7409
434 4PO2 ASN ARG LEU LEU LEU THR GLY 0.004017 0.40015 11.9149
435 2V5E SCR 0.008384 0.43909 12
436 2YDW WSH 0.004763 0.40058 12.4183
437 2GJ3 FAD 0.001668 0.42587 12.5
438 1G8S MET 0.0002282 0.47961 12.6087
439 1T57 FMN 0.00351 0.40228 12.6214
440 1JH7 UVC 0.008761 0.40471 12.6984
441 2HMT NAI 0.01017 0.41265 13.1944
442 1BGQ RDC 0.00329 0.40977 13.3333
443 2YJP CYS 0.02176 0.40086 13.4021
444 3SQG COM 0.001633 0.47582 13.6201
445 4AF5 CIT 0.008691 0.41037 13.6842
446 1C3V NDP 0.003183 0.41592 13.8776
447 1OCU PIB 0.005594 0.44254 14.1975
448 1XE7 GUN 0.007901 0.43222 14.2857
449 2YC5 6BC 0.002012 0.42856 14.4737
450 3ZLM ANP 0.00124 0.41273 14.8936
451 3TA2 ATP 0.009079 0.40161 15.2542
452 2OYS FMN 0.00002458 0.478 15.2893
453 2O66 FLC 0.003017 0.4243 15.5556
454 1NVU GTP 0.001652 0.44959 16.2651
455 3DDC GNP 0.004098 0.40472 16.2651
456 4R3L COA 0.002088 0.4015 17.341
457 1UO5 PIH 0.006272 0.40721 20.5882
458 4F4S EFO 0.001287 0.43364 21.0526
459 3SJ0 DXC 0.01062 0.41238 21.1268
460 2DTX BMA 0.0009452 0.44597 21.2121
461 1EZV SMA 0.004905 0.40333 21.8182
462 4B8V NDG NAG NAG NAG 0.001252 0.42535 21.9298
463 2E1A MSE 0.0006614 0.43919 25.3333
464 1ECM TSA 0.00211 0.41931 26.6055
465 2FYU FDN 0.0008092 0.40124 27.4194
466 2HVW DCP 0.00121 0.40211 28.2609
467 1YAG ATP 0.0004062 0.43814 36
Pocket No.: 2; Query (leader) PDB : 4EPL; Ligand: JAI; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 4epl.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5G3U FDA 0.02106 0.40873 3.07329
2 5G3U ITW 0.02903 0.40713 3.07329
3 4RF7 ARG 0.006076 0.42594 5.16351
4 5N9X THR 0.02654 0.40027 9.26276
5 5MST FUM 0.003442 0.43501 10.4991
Feedback